TL;DR: p-Phenylenediamine, N,N'-bis(1-ethyl-4-methylpentyl)- (CAS 104093-14-3) is a chemical compound with molecular formula C22H40N2 and molecular weight 332.31915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N,4-N-bis(6-methylheptan-3-yl)benzene-1,4-diamine
Also Known As: p-Phenylenediamine, N,N'-bis(1-ethyl-4-methylpentyl)-, N,N'-bis(6-methylheptan-3-yl)benzene-1,4-diamine, 1-N,4-N-bis(6-methylheptan-3-yl)benzene-1,4-diamine, N~1~,N~4~-Bis(6-methylheptan-3-yl)benzene-1,4-diamine
| Molecular Formula | C22H40N2 |
| Molecular Weight | 332.31915 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 332.31915 Da |
| Heavy Atoms | 24 |
| Complexity | 262.0 |
| SMILES | CCC(CCC(C)C)NC1=CC=C(C=C1)NC(CC)CCC(C)C |
| InChIKey | BKNKXTSOZMNBKD-UHFFFAOYSA-N |
The XLogP value of 7.9 indicates that p-Phenylenediamine, N,N'-bis(1-ethyl-4-methylpentyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, p-Phenylenediamine, N,N'-bis(1-ethyl-4-methylpentyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Phenylenediamine, N,N'-bis(1-ethyl-4-methylpentyl)- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of p-Phenylenediamine, N,N'-bis(1-ethyl-4-methylpentyl)- is 104093-14-3.
The molecular formula of p-Phenylenediamine, N,N'-bis(1-ethyl-4-methylpentyl)- is C22H40N2.
The molecular weight of p-Phenylenediamine, N,N'-bis(1-ethyl-4-methylpentyl)- is 332.31915 g/mol.
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